Inorganic Solid Phases

[NH4]9[P4V10O34]1.5·3H2O ([NH4]9V15[PO4]6O27[H2O]3) Crystal Structure

General Information

  • Phase Label(s): [NH4]9V15[PO4]6O27[H2O]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI372
  • Space Group: 229
  • Phase Prototype: [NH4]9V15[PO4]6O27[H2O]3
  • Measurement Detail(s): automatic diffractometer; 3554 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell parameters), T = 298.0 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 48 variables; 495 reflections; I > 2σ(I), R = 0.0842; wR = 0.2524
  • Sample Detail(s): sample prepared from NH4VO3, NaH2PO4, 1,4-butanediamine, energy-dispersive X-ray analysis; N, O, P, V detected; P/V ratio 1/2.7, single crystal (determination of cell parameters), single crystal, 0.16×0.16×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]9V15[PO4]6O27[H2O]3
  • Alphabetic Formula: [H2O]3[NH4]9O27[PO4]6V15
  • Published Formula: [NH4]9[P4V10O34]1.5·3H2O
  • Refined Formula: H42.01N9O54P6V15
  • Wyckoff Sequence: 229,l2kjhfe2dc
  • Z Formula Units: 2
  • Density: ρ = 1.60 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1532774

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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